#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fki s THR 2 N 0.00 3.76 0.33 3.17 2.01 -1.26 -4.99 115.64 118.65 2fki s THR 2 Ca 0.00 -1.19 0.01 0.00 0.31 0.00 0.00 61.69 60.82 2fki s THR 2 Cb 0.00 -3.28 0.27 0.00 0.01 0.00 0.00 72.50 69.50 2fki s THR 2 CO 0.00 -0.16 1.96 0.40 -0.69 0.00 0.00 174.62 176.13 2fki h ILE 3 N 1.07 1.12 -0.43 1.82 1.08 -2.01 -1.28 117.51 118.88 2fki h ILE 3 Ca -0.45 -0.33 -0.00 0.00 -0.39 0.00 0.00 64.86 63.69 2fki h ILE 3 Cb 1.26 0.08 -0.02 0.00 -3.07 0.00 0.00 36.82 35.07 2fki h ILE 3 CO 0.56 0.17 0.26 0.28 -0.69 0.00 0.00 178.15 178.73 2fki h SER 4 N 0.96 0.52 -0.27 1.72 0.02 -1.98 0.33 113.55 114.84 2fki h SER 4 Ca 0.31 -0.06 -0.11 0.00 -0.84 0.00 0.00 61.79 61.09 2fki h SER 4 Cb 0.04 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 2fki h SER 4 CO -0.09 0.43 -0.22 -0.33 -1.14 0.00 0.00 176.83 175.48 2fki h GLU 5 N 0.57 0.74 -0.05 3.45 3.07 -1.85 -0.77 114.58 119.75 2fki h GLU 5 Ca 0.15 -0.29 -0.00 0.00 -0.50 0.00 0.00 59.36 58.72 2fki h GLU 5 Cb 0.01 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 27.88 2fki h GLU 5 CO -0.03 0.90 0.03 1.25 -1.40 0.00 0.00 179.01 179.76 2fki h LEU 6 N 0.65 0.06 -1.26 1.33 5.85 -0.65 0.23 115.31 121.51 2fki h LEU 6 Ca 0.09 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.78 2fki h LEU 6 Cb 0.72 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.70 2fki h LEU 6 CO 0.06 0.09 0.51 -0.07 -0.34 0.00 0.00 178.44 178.68 2fki h LEU 7 N 0.02 0.86 -0.44 2.25 3.38 -0.21 0.05 115.31 121.23 2fki h LEU 7 Ca 0.02 -0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 2fki h LEU 7 Cb 0.04 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2fki h LEU 7 CO -0.00 0.62 -0.40 -0.61 0.09 0.00 0.00 178.44 178.14 2fki h GLN 8 N 1.02 0.86 -0.18 1.13 4.15 -0.72 -2.84 115.11 118.53 2fki h GLN 8 Ca 0.29 -0.46 -0.07 0.00 0.77 0.00 0.00 58.65 59.18 2fki h GLN 8 Cb -0.09 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.61 2fki h GLN 8 CO -0.07 1.10 -0.19 -0.92 -1.93 0.00 0.00 178.83 176.82 2fki h TYR 9 N 0.70 0.33 0.00 3.99 3.20 0.17 -2.09 116.97 123.27 2fki h TYR 9 Ca 0.05 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2fki h TYR 9 Cb 0.98 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 39.16 2fki h TYR 9 CO 0.06 0.48 0.00 0.00 -1.64 0.00 0.00 178.16 177.06 2fki n MET 11 N -2.35 1.13 -0.27 0.00 2.81 -0.79 -2.54 117.12 115.12 2fki n MET 11 Ca 0.01 -0.29 0.09 0.00 -1.81 0.00 0.00 57.70 55.71 2fki n MET 11 Cb 0.18 -1.49 0.25 0.00 -0.71 0.00 0.00 33.22 31.45 2fki n MET 11 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2fki n ALA 12 N -0.68 2.42 -3.72 3.04 0.00 -0.15 -4.71 120.51 116.71 2fki n ALA 12 Ca 0.21 -0.97 -0.37 0.00 0.00 0.00 0.00 53.44 52.32 2fki n ALA 12 Cb 0.20 -0.96 -0.11 0.00 0.00 0.00 0.00 19.45 18.58 2fki n ALA 12 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2fki s LYS 13 N -1.29 2.12 -0.03 0.00 -0.14 -1.05 -5.07 119.74 114.28 2fki s LYS 13 Ca 0.38 -1.79 -0.29 0.00 -1.36 0.00 0.00 55.97 52.90 2fki s LYS 13 Cb 0.20 -3.66 -0.08 0.00 -1.68 0.00 0.00 37.83 32.61 2fki s LYS 13 CO 0.26 -1.09 2.05 -1.25 -0.76 0.00 0.00 175.35 174.56 2fki s PRO 14 N 1.20 3.87 0.00 -1.68 0.04 -1.26 -1.80 135.00 135.36 2fki s PRO 14 Ca 0.07 2.47 0.00 0.00 0.04 0.00 0.00 61.00 63.59 2fki s PRO 14 Cb -0.24 -4.23 0.00 0.00 0.04 0.00 0.00 34.50 30.08 2fki s PRO 14 CO -0.03 -1.27 0.00 0.41 0.04 0.00 0.00 177.00 176.15 2fki n GLY 15 N 4.88 2.14 3.72 0.56 0.00 -1.26 -4.88 105.19 110.35 2fki n GLY 15 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 2fki n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fki s ALA 16 N -2.12 3.23 0.08 4.61 0.00 -0.74 -4.37 121.76 122.45 2fki s ALA 16 Ca 0.00 0.47 0.05 0.00 0.00 0.00 0.00 51.96 52.48 2fki s ALA 16 Cb 0.00 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 19.86 2fki s ALA 16 CO 0.00 -0.11 -0.13 -2.00 0.00 0.00 0.00 175.76 173.52 2fki s GLU 17 N 0.53 0.82 0.01 0.00 2.12 0.29 -4.88 118.70 117.59 2fki s GLU 17 Ca 0.47 -1.01 0.02 0.00 0.36 0.00 0.00 54.97 54.81 2fki s GLU 17 Cb -0.21 -0.71 -0.04 0.00 0.26 0.00 0.00 34.13 33.43 2fki s GLU 17 CO 0.27 0.14 0.00 -0.65 -0.54 0.00 0.00 175.26 174.49 2fki s GLN 18 N -2.06 2.76 -0.20 4.30 -0.21 -1.26 -1.59 119.66 121.40 2fki s GLN 18 Ca 0.00 -0.64 -0.10 0.00 0.02 0.00 0.00 55.36 54.65 2fki s GLN 18 Cb -0.08 -2.66 0.07 0.00 1.00 0.00 0.00 33.01 31.35 2fki s GLN 18 CO 0.02 0.61 0.47 -1.54 -2.12 0.00 0.00 175.29 172.73 2fki s SER 19 N -1.66 -0.55 -0.07 5.90 1.04 -0.11 -4.97 113.70 113.27 2fki s SER 19 Ca 0.21 1.05 -0.29 0.00 0.48 0.00 0.00 55.95 57.39 2fki s SER 19 Cb -0.12 1.09 -0.02 0.00 0.10 0.00 0.00 66.02 67.08 2fki s SER 19 CO 0.11 -0.21 0.98 0.54 0.98 0.00 0.00 173.24 175.64 2fki s VAL 20 N 1.83 4.83 -0.11 5.02 0.11 -1.26 0.25 120.40 131.06 2fki s VAL 20 Ca -0.07 2.00 -0.04 0.00 -2.93 0.00 0.00 61.98 60.94 2fki s VAL 20 Cb -0.09 -4.30 -0.04 0.00 -1.53 0.00 0.00 36.38 30.43 2fki s VAL 20 CO -0.14 0.06 0.05 -1.00 -3.33 0.00 0.00 175.10 170.74 2fki s HIS 21 N 1.66 3.30 -1.08 1.54 3.76 0.12 -4.95 115.29 119.63 2fki s HIS 21 Ca 0.49 0.25 -0.22 0.00 -0.15 0.00 0.00 55.06 55.43 2fki s HIS 21 Cb -0.19 -1.88 0.04 0.00 1.11 0.00 0.00 32.58 31.66 2fki s HIS 21 CO 0.21 0.48 1.57 1.21 -0.85 0.00 0.00 174.74 177.36 2fki s ASN 22 N -0.68 6.43 0.00 1.40 2.47 -1.26 -3.76 114.94 119.54 2fki s ASN 22 Ca 0.11 -1.63 0.00 0.00 0.42 0.00 0.00 52.86 51.76 2fki s ASN 22 Cb -0.12 -2.57 0.00 0.00 -1.45 0.00 0.00 41.25 37.11 2fki s ASN 22 CO 0.02 -1.57 0.00 -0.90 -3.72 0.00 0.00 177.10 170.93 2fki n ASP 23 N 9.33 0.00 -2.90 -4.21 5.68 -1.26 -5.02 116.55 118.16 2fki n ASP 23 Ca 0.38 0.00 -0.13 0.00 -0.50 0.00 0.00 54.79 54.53 2fki n ASP 23 Cb 0.49 0.00 0.02 0.00 -1.14 0.00 0.00 41.12 40.49 2fki n ASP 23 CO 0.00 0.00 0.00 -2.67 -1.33 0.00 0.00 177.20 173.20 2fki n TRP 24 N -2.25 -2.16 -3.07 2.11 4.27 -1.26 -5.02 117.44 110.06 2fki n TRP 24 Ca 0.00 -2.48 -0.07 0.00 -3.89 0.00 0.00 57.50 51.06 2fki n TRP 24 Cb 0.00 0.89 0.01 0.00 -1.36 0.00 0.00 31.31 30.85 2fki n TRP 24 CO 0.00 0.00 0.00 1.17 -2.29 0.00 0.00 177.69 176.57 2fki n LYS 25 N 1.25 -1.75 -3.84 -2.67 4.81 -1.26 -4.67 118.16 110.03 2fki n LYS 25 Ca 0.13 1.66 -0.28 0.00 -0.87 0.00 0.00 58.31 58.95 2fki n LYS 25 Cb 0.62 -5.28 -0.16 0.00 0.02 0.00 0.00 35.03 30.23 2fki n LYS 25 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2fki s ALA 26 N -2.78 1.36 -0.31 3.14 0.00 -1.25 -3.92 121.76 118.00 2fki s ALA 26 Ca 0.11 -0.82 -0.17 0.00 0.00 0.00 0.00 51.96 51.08 2fki s ALA 26 Cb -0.03 -1.16 -0.02 0.00 0.00 0.00 0.00 23.12 21.92 2fki s ALA 26 CO 0.78 -0.93 0.46 0.99 0.00 0.00 0.00 175.76 177.05 2fki s THR 27 N 1.69 5.09 -0.15 0.00 2.01 -0.47 0.13 115.64 123.93 2fki s THR 27 Ca -0.00 0.47 -0.07 0.00 0.31 0.00 0.00 61.69 62.40 2fki s THR 27 Cb -0.16 -3.85 -0.04 0.00 0.01 0.00 0.00 72.50 68.46 2fki s THR 27 CO -0.07 -0.04 0.09 -1.10 -0.69 0.00 0.00 174.62 172.80 2fki s GLN 28 N 2.24 3.70 -0.24 4.92 -0.21 0.14 -0.44 119.66 129.76 2fki s GLN 28 Ca 0.17 -0.27 -0.05 0.00 0.02 0.00 0.00 55.36 55.23 2fki s GLN 28 Cb -0.16 -3.17 -0.01 0.00 1.00 0.00 0.00 33.01 30.67 2fki s GLN 28 CO 0.11 0.49 0.01 0.42 -2.12 0.00 0.00 175.29 174.20 2fki s ILE 29 N -0.24 3.68 0.23 1.08 1.01 0.93 -0.94 121.20 126.95 2fki s ILE 29 Ca 0.09 -0.48 0.01 0.00 0.00 0.00 0.00 60.65 60.26 2fki s ILE 29 Cb -0.12 -2.74 -0.05 0.00 0.01 0.00 0.00 42.46 39.57 2fki s ILE 29 CO 0.01 0.33 0.09 -1.59 0.00 0.00 0.00 174.94 173.78 2fki s LYS 30 N 1.51 1.33 0.00 2.79 -2.85 -0.62 -2.69 119.74 119.21 2fki s LYS 30 Ca 0.05 -1.70 0.00 0.00 -1.00 0.00 0.00 55.97 53.32 2fki s LYS 30 Cb -0.15 -0.14 0.00 0.00 -2.06 0.00 0.00 37.83 35.48 2fki s LYS 30 CO -0.01 -0.30 0.00 0.28 0.10 0.00 0.00 175.35 175.42 2fki n VAL 31 N -0.39 0.00 0.27 1.79 0.31 0.07 -0.55 118.33 119.83 2fki n VAL 31 Ca -0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.18 2fki n VAL 31 Cb 0.66 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.51 2fki n VAL 31 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2fki h GLU 32 N 0.00 -0.67 0.00 5.55 4.39 -2.00 -3.40 114.58 118.44 2fki h GLU 32 Ca 0.00 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.75 2fki h GLU 32 Cb 0.00 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 2fki h GLU 32 CO 0.00 -0.37 -0.10 -3.47 -1.16 0.00 0.00 179.01 173.91 2fki n ASP 33 N -5.30 0.52 -4.49 1.42 2.03 -1.26 -5.02 116.55 104.45 2fki n ASP 33 Ca -0.11 -0.29 -0.43 0.00 0.52 0.00 0.00 54.79 54.48 2fki n ASP 33 Cb 0.32 0.69 -0.09 0.00 -0.72 0.00 0.00 41.12 41.32 2fki n ASP 33 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2fki s VAL 34 N -0.79 5.09 -0.07 5.18 1.01 -1.26 -5.04 120.40 124.51 2fki s VAL 34 Ca 0.00 -0.29 -0.22 0.00 0.00 0.00 0.00 61.98 61.47 2fki s VAL 34 Cb 0.00 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 2fki s VAL 34 CO 0.00 -0.40 0.63 -0.22 0.00 0.00 0.00 175.10 175.11 2fki s LEU 35 N 2.15 4.32 0.00 3.92 2.96 -1.26 -0.75 118.68 130.03 2fki s LEU 35 Ca 0.12 1.10 0.00 0.00 -0.22 0.00 0.00 54.13 55.13 2fki s LEU 35 Cb -0.17 -2.96 0.00 0.00 0.50 0.00 0.00 46.19 43.56 2fki s LEU 35 CO 0.14 -0.05 0.00 2.22 -1.32 0.00 0.00 176.35 177.33 2fki n PHE 36 N 3.57 0.00 -3.85 5.38 1.16 -1.14 -4.90 117.46 117.68 2fki n PHE 36 Ca -0.04 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.42 2fki n PHE 36 Cb 0.51 0.00 -0.13 0.00 -1.61 0.00 0.00 39.48 38.25 2fki n PHE 36 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2fki s ALA 37 N -0.69 -0.18 -0.10 1.98 0.00 -1.09 -1.68 121.76 119.99 2fki s ALA 37 Ca 0.00 0.17 -0.03 0.00 0.00 0.00 0.00 51.96 52.10 2fki s ALA 37 Cb 0.00 -0.11 0.04 0.00 0.00 0.00 0.00 23.12 23.06 2fki s ALA 37 CO 0.00 -0.05 0.06 1.41 0.00 0.00 0.00 175.76 177.18 2fki s MET 38 N -0.06 0.15 -0.18 0.00 1.75 -0.65 -0.05 119.30 120.27 2fki s MET 38 Ca -0.01 0.10 -0.19 0.00 -1.25 0.00 0.00 55.69 54.34 2fki s MET 38 Cb -0.01 -1.19 -0.03 0.00 2.84 0.00 0.00 34.83 36.44 2fki s MET 38 CO 0.00 -0.47 0.56 0.54 -0.65 0.00 0.00 175.02 175.00 2fki s VAL 39 N 2.10 5.08 -0.09 10.11 0.11 0.41 0.24 120.40 138.36 2fki s VAL 39 Ca 0.03 1.06 -0.04 0.00 -2.93 0.00 0.00 61.98 60.11 2fki s VAL 39 Cb -0.14 -3.89 0.04 0.00 -1.53 0.00 0.00 36.38 30.87 2fki s VAL 39 CO -0.06 0.18 0.20 -0.75 -3.33 0.00 0.00 175.10 171.34 2fki s LYS 40 N 1.54 0.14 -0.43 1.54 2.47 0.98 -1.37 119.74 124.61 2fki s LYS 40 Ca 0.27 0.47 -0.22 0.00 -1.56 0.00 0.00 55.97 54.93 2fki s LYS 40 Cb -0.16 -0.15 0.02 0.00 -1.46 0.00 0.00 37.83 36.08 2fki s LYS 40 CO 0.10 -0.18 0.71 -1.21 0.16 0.00 0.00 175.35 174.93 2fki s GLU 41 N 1.33 3.41 -0.02 4.03 2.02 -1.25 -3.16 118.70 125.06 2fki s GLU 41 Ca -0.08 -0.17 0.07 0.00 0.02 0.00 0.00 54.97 54.82 2fki s GLU 41 Cb -0.11 -3.92 -0.02 0.00 0.10 0.00 0.00 34.13 30.18 2fki s GLU 41 CO -0.07 -1.01 -0.24 0.54 0.02 0.00 0.00 175.26 174.50 2fki s VAL 42 N 3.01 1.89 -1.07 2.63 0.11 -1.22 -4.43 120.40 121.32 2fki s VAL 42 Ca 0.26 -1.02 0.00 0.00 -2.93 0.00 0.00 61.98 58.29 2fki s VAL 42 Cb -0.13 -1.57 0.00 0.00 -1.53 0.00 0.00 36.38 33.15 2fki s VAL 42 CO 0.20 0.53 0.00 -0.62 -3.33 0.00 0.00 175.10 171.88 2fki n GLU 43 N 2.52 -1.11 -2.04 1.54 1.02 -1.26 -2.81 120.64 118.50 2fki n GLU 43 Ca -0.16 0.81 -0.20 0.00 -0.02 0.00 0.00 57.16 57.59 2fki n GLU 43 Cb 0.52 -4.89 -0.04 0.00 -0.02 0.00 0.00 31.44 27.00 2fki n GLU 43 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2fki n ASN 44 N -0.43 -5.64 -4.43 1.62 3.02 -1.26 -5.00 115.26 103.13 2fki n ASN 44 Ca -0.10 0.21 -0.33 0.00 -0.03 0.00 0.00 54.58 54.33 2fki n ASN 44 Cb 0.43 -4.78 -0.14 0.00 -0.61 0.00 0.00 39.78 34.69 2fki n ASN 44 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2fki s ARG 45 N -4.44 2.79 0.06 3.52 3.00 -1.12 -5.08 118.95 117.67 2fki s ARG 45 Ca 0.00 -0.71 -0.32 0.00 0.00 0.00 0.00 55.73 54.70 2fki s ARG 45 Cb 0.00 -2.44 -0.11 0.00 0.00 0.00 0.00 34.95 32.40 2fki s ARG 45 CO 0.00 0.48 1.85 -0.35 0.00 0.00 0.00 175.30 177.27 2fki n PRO 46 N 2.74 2.61 -3.84 3.54 -0.04 -1.26 -3.37 135.00 135.38 2fki n PRO 46 Ca -0.17 0.95 -0.12 0.00 -0.04 0.00 0.00 63.50 64.12 2fki n PRO 46 Cb 0.52 -2.83 -0.11 0.00 -0.04 0.00 0.00 33.50 31.04 2fki n PRO 46 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2fki s ALA 47 N 3.17 -0.37 -0.12 0.55 0.00 -1.19 -0.59 121.76 123.22 2fki s ALA 47 Ca 0.85 0.20 0.02 0.00 0.00 0.00 0.00 51.96 53.03 2fki s ALA 47 Cb -0.54 -0.10 -0.00 0.00 0.00 0.00 0.00 23.12 22.47 2fki s ALA 47 CO 0.41 -0.13 -0.20 0.54 0.00 0.00 0.00 175.76 176.38 2fki s VAL 48 N -0.55 2.42 -0.17 0.00 0.11 -0.44 -0.02 120.40 121.76 2fki s VAL 48 Ca -0.06 -0.88 -0.15 0.00 -2.93 0.00 0.00 61.98 57.95 2fki s VAL 48 Cb -0.04 -1.97 -0.04 0.00 -1.53 0.00 0.00 36.38 32.80 2fki s VAL 48 CO 0.01 0.54 0.36 -0.44 -3.33 0.00 0.00 175.10 172.24 2fki s SER 49 N 0.42 6.48 0.23 3.54 0.01 0.14 0.05 113.70 124.55 2fki s SER 49 Ca -0.14 0.56 0.03 0.00 1.31 0.00 0.00 55.95 57.70 2fki s SER 49 Cb -0.17 -2.22 -0.03 0.00 0.21 0.00 0.00 66.02 63.81 2fki s SER 49 CO 0.06 0.02 0.38 -0.76 0.41 0.00 0.00 173.24 173.35 2fki s LEU 50 N 0.79 4.26 0.05 2.44 1.02 -0.87 -1.64 118.68 124.74 2fki s LEU 50 Ca 0.19 0.22 -0.28 0.00 0.02 0.00 0.00 54.13 54.28 2fki s LEU 50 Cb -0.14 -3.01 -0.17 0.00 0.02 0.00 0.00 46.19 42.89 2fki s LEU 50 CO 0.06 -0.07 1.48 0.50 0.02 0.00 0.00 176.35 178.35 2fki h LYS 51 N 1.51 -0.51 0.00 1.70 3.64 -1.66 -3.38 116.57 117.87 2fki h LYS 51 Ca -0.50 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 2fki h LYS 51 Cb 1.21 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.15 2fki h LYS 51 CO 0.64 -0.26 0.00 -2.37 -2.27 0.00 0.00 179.45 175.19 2fki n THR 52 N -5.26 0.00 -1.24 1.00 5.66 -1.26 -4.89 114.28 108.28 2fki n THR 52 Ca -0.11 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.89 2fki n THR 52 Cb 0.26 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.04 2fki n THR 52 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 2fki n SER 53 N -2.55 -6.96 0.37 1.09 7.64 -1.26 -3.63 113.62 108.32 2fki n SER 53 Ca 0.00 0.92 -0.17 0.00 1.01 0.00 0.00 58.87 60.63 2fki n SER 53 Cb 0.00 -3.16 -0.09 0.00 -1.01 0.00 0.00 64.21 59.95 2fki n SER 53 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2fki h PRO 54 N 1.84 -0.91 -0.09 1.43 0.13 -2.00 -0.23 132.00 132.17 2fki h PRO 54 Ca 0.00 0.06 -0.08 0.00 -0.87 0.00 0.00 66.00 65.11 2fki h PRO 54 Cb 0.00 0.21 -0.01 0.00 0.13 0.00 0.00 31.00 31.32 2fki h PRO 54 CO 0.00 -0.58 -0.31 0.93 -0.23 0.00 0.00 178.00 177.81 2fki h GLU 55 N -1.07 0.18 -0.44 0.86 3.07 -2.00 -2.72 114.58 112.46 2fki h GLU 55 Ca -0.10 -0.06 -0.12 0.00 -0.50 0.00 0.00 59.36 58.58 2fki h GLU 55 Cb 0.75 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.63 2fki h GLU 55 CO 0.16 0.47 -0.20 -0.07 -1.40 0.00 0.00 179.01 177.98 2fki h LEU 56 N 0.16 0.87 -0.69 1.33 -0.00 -1.77 -0.29 115.31 114.92 2fki h LEU 56 Ca 0.02 -0.31 0.05 0.00 -0.00 0.00 0.00 57.88 57.65 2fki h LEU 56 Cb 0.63 -0.24 -0.05 0.00 -0.00 0.00 0.00 40.66 41.00 2fki h LEU 56 CO 0.05 1.05 0.40 0.00 -0.00 0.00 0.00 178.44 179.93 2fki h ALA 57 N 1.02 0.93 0.11 1.53 0.00 -0.71 0.54 119.26 122.67 2fki h ALA 57 Ca 0.11 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2fki h ALA 57 Cb 0.73 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2fki h ALA 57 CO 0.06 0.10 -0.05 0.93 0.00 0.00 0.00 179.25 180.28 2fki h GLU 58 N 0.74 -0.14 -0.52 0.00 4.39 -1.37 -1.93 114.58 115.75 2fki h GLU 58 Ca 0.30 0.01 0.09 0.00 0.34 0.00 0.00 59.36 60.11 2fki h GLU 58 Cb 0.16 0.03 -0.08 0.00 -0.10 0.00 0.00 28.75 28.77 2fki h GLU 58 CO -0.17 -0.01 0.07 1.25 -1.16 0.00 0.00 179.01 179.00 2fki h LEU 59 N -0.25 -0.07 -1.39 1.33 6.46 -0.32 0.70 115.31 121.78 2fki h LEU 59 Ca -0.01 0.10 -0.05 0.00 -0.12 0.00 0.00 57.88 57.80 2fki h LEU 59 Cb 0.20 0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.27 2fki h LEU 59 CO 0.02 -0.01 -0.09 -0.07 -0.62 0.00 0.00 178.44 177.68 2fki h LEU 60 N 0.20 0.28 -0.36 2.25 3.38 0.16 0.11 115.31 121.33 2fki h LEU 60 Ca 0.26 -0.05 -0.13 0.00 0.09 0.00 0.00 57.88 58.05 2fki h LEU 60 Cb 0.38 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 2fki h LEU 60 CO -0.37 0.40 -0.63 0.03 0.09 0.00 0.00 178.44 177.97 2fki h ARG 61 N 0.28 0.00 0.10 1.13 -0.00 -0.41 -3.33 114.38 112.15 2fki h ARG 61 Ca 0.06 0.00 -0.18 0.00 -0.50 0.00 0.00 59.98 59.36 2fki h ARG 61 Cb 0.34 0.00 0.01 0.00 0.00 0.00 0.00 29.97 30.32 2fki h ARG 61 CO 0.02 0.63 -0.86 1.96 0.00 0.00 0.00 179.97 181.72 2fki h GLN 62 N 0.00 0.22 0.00 0.04 7.50 0.03 -3.50 115.11 119.40 2fki h GLN 62 Ca -0.01 -0.37 0.00 0.00 0.50 0.00 0.00 58.65 58.77 2fki h GLN 62 Cb 1.33 0.14 0.00 0.00 0.05 0.00 0.00 27.48 28.99 2fki h GLN 62 CO 0.08 1.18 0.00 1.04 -1.50 0.00 0.00 178.83 179.63 2fki n GLN 63 N -4.18 0.00 0.00 1.46 6.02 0.30 -4.82 117.38 116.16 2fki n GLN 63 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.82 2fki n GLN 63 Cb 0.78 0.00 0.00 0.00 1.02 0.00 0.00 30.24 32.04 2fki n GLN 63 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 2fki n HIS 64 N 0.00 0.00 -0.03 1.08 -0.00 -1.26 -3.57 115.22 111.45 2fki n HIS 64 Ca 0.00 0.00 -0.17 0.00 0.46 0.00 0.00 57.72 58.01 2fki n HIS 64 Cb 0.00 0.00 -0.14 0.00 -0.12 0.00 0.00 29.99 29.73 2fki n HIS 64 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 2fki n SER 65 N 3.07 1.63 -4.13 0.26 7.64 -1.26 -4.86 113.62 115.97 2fki n SER 65 Ca 0.00 0.21 -0.33 0.00 1.01 0.00 0.00 58.87 59.76 2fki n SER 65 Cb 0.00 -0.47 -0.16 0.00 -1.01 0.00 0.00 64.21 62.57 2fki n SER 65 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2fki s ASP 66 N -6.62 3.10 0.24 6.43 1.11 -1.23 -4.83 116.67 114.87 2fki s ASP 66 Ca -0.18 -0.63 0.00 0.00 0.18 0.00 0.00 52.55 51.92 2fki s ASP 66 Cb 0.07 -1.46 0.00 0.00 1.07 0.00 0.00 42.92 42.61 2fki s ASP 66 CO 0.77 0.02 0.00 0.52 1.18 0.00 0.00 175.17 177.66 2fki n VAL 67 N 4.47 -2.73 -4.33 -1.27 0.31 -1.26 -4.21 118.33 109.30 2fki n VAL 67 Ca -0.21 1.02 -0.22 0.00 -0.01 0.00 0.00 64.34 64.92 2fki n VAL 67 Cb 0.50 -1.43 -0.11 0.00 -0.91 0.00 0.00 33.84 31.90 2fki n VAL 67 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2fki s ARG 68 N -4.96 1.27 -0.49 5.55 1.04 -1.26 -4.08 118.95 116.02 2fki s ARG 68 Ca 0.00 -1.39 -0.43 0.00 -1.04 0.00 0.00 55.73 52.87 2fki s ARG 68 Cb 0.00 -1.35 -0.19 0.00 -2.04 0.00 0.00 34.95 31.37 2fki s ARG 68 CO 0.00 0.28 2.04 -2.30 -0.04 0.00 0.00 175.30 175.28 2fki n PRO 69 N 0.37 0.00 -2.93 3.89 -0.02 -1.26 -4.88 135.00 130.17 2fki n PRO 69 Ca -0.14 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 60.91 2fki n PRO 69 Cb 0.57 -1.46 -0.05 0.00 -0.02 0.00 0.00 33.50 32.53 2fki n PRO 69 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2fki s SER 70 N 5.60 6.31 -0.64 2.55 1.04 -1.26 -4.93 113.70 122.38 2fki s SER 70 Ca 1.16 -0.48 -0.03 0.00 0.48 0.00 0.00 55.95 57.08 2fki s SER 70 Cb -1.46 -2.39 0.20 0.00 0.10 0.00 0.00 66.02 62.46 2fki s SER 70 CO 0.66 -1.12 2.42 -1.14 0.98 0.00 0.00 173.24 175.04 2fki n ARG 71 N 7.07 2.56 -0.12 4.02 0.63 -1.26 -4.49 116.66 125.07 2fki n ARG 71 Ca -0.00 -2.89 -0.26 0.00 -0.92 0.00 0.00 57.85 53.78 2fki n ARG 71 Cb 0.47 -2.20 -0.11 0.00 0.45 0.00 0.00 32.46 31.07 2fki n ARG 71 CO 0.00 0.00 0.00 -2.39 -2.51 0.00 0.00 177.63 172.73 2fki n HIS 72 N 0.20 0.50 -2.04 -0.14 1.44 -1.26 -5.08 115.22 108.85 2fki n HIS 72 Ca 0.51 0.21 0.00 0.00 -2.01 0.00 0.00 57.72 56.43 2fki n HIS 72 Cb 0.40 -1.05 0.00 0.00 0.12 0.00 0.00 29.99 29.46 2fki n HIS 72 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2fki n LEU 73 N -4.25 0.00 -4.51 2.39 4.77 -1.26 -5.06 117.00 109.07 2fki n LEU 73 Ca -0.44 0.00 -0.44 0.00 -0.03 0.00 0.00 56.01 55.11 2fki n LEU 73 Cb 0.81 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.84 2fki n LEU 73 CO 0.13 0.00 1.93 0.59 -1.33 0.00 0.00 177.39 178.71 2fki n ASN 74 N 0.00 2.20 0.18 -1.43 4.13 -1.26 -4.80 115.26 114.27 2fki n ASN 74 Ca 0.00 0.06 0.04 0.00 1.68 0.00 0.00 54.58 56.36 2fki n ASN 74 Cb 0.00 -1.38 0.30 0.00 -1.54 0.00 0.00 39.78 37.16 2fki n ASN 74 CO 0.00 0.00 0.00 0.50 0.28 0.00 0.00 177.26 178.04 2fki h LYS 75 N 15.11 0.00 -0.83 3.52 3.64 -1.86 0.32 116.57 136.48 2fki h LYS 75 Ca -0.26 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.09 2fki h LYS 75 Cb 1.29 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.09 2fki h LYS 75 CO 1.09 0.44 0.03 0.00 -2.27 0.00 0.00 179.45 178.74 2fki n ALA 76 N -2.33 3.24 0.06 5.00 0.00 -1.26 -4.30 120.51 120.91 2fki n ALA 76 Ca -0.01 -0.94 0.00 0.00 0.00 0.00 0.00 53.44 52.49 2fki n ALA 76 Cb 0.53 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.90 2fki n ALA 76 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2fki n HIS 77 N 0.23 -1.57 -4.27 0.00 -0.00 -0.95 -5.09 115.22 103.58 2fki n HIS 77 Ca 0.15 0.27 -0.34 0.00 -0.00 0.00 0.00 57.72 57.80 2fki n HIS 77 Cb 0.73 0.88 -0.12 0.00 -0.00 0.00 0.00 29.99 31.48 2fki n HIS 77 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2fki s TRP 78 N -2.00 3.06 -0.01 1.57 0.52 0.11 -4.88 118.94 117.30 2fki s TRP 78 Ca 0.00 -0.29 0.06 0.00 0.02 0.00 0.00 56.10 55.90 2fki s TRP 78 Cb 0.00 -2.00 -0.02 0.00 -1.15 0.00 0.00 33.47 30.30 2fki s TRP 78 CO 0.00 -0.06 -0.19 -1.12 0.02 0.00 0.00 176.95 175.60 2fki s SER 79 N 0.51 2.28 -0.08 2.95 0.01 -1.26 -4.29 113.70 113.82 2fki s SER 79 Ca -0.02 -0.37 0.05 0.00 1.31 0.00 0.00 55.95 56.92 2fki s SER 79 Cb -0.14 -0.24 -0.00 0.00 0.21 0.00 0.00 66.02 65.84 2fki s SER 79 CO 0.02 0.23 -0.23 -0.89 0.41 0.00 0.00 173.24 172.78 2fki s THR 80 N -0.50 1.92 -0.39 1.44 2.01 -1.26 -2.04 115.64 116.82 2fki s THR 80 Ca 0.07 -0.97 -0.21 0.00 0.31 0.00 0.00 61.69 60.90 2fki s THR 80 Cb -0.08 -1.65 0.01 0.00 0.01 0.00 0.00 72.50 70.79 2fki s THR 80 CO -0.00 0.53 0.67 -0.69 -0.69 0.00 0.00 174.62 174.44 2fki s VAL 81 N 0.15 4.83 -0.09 3.82 1.01 0.11 -4.74 120.40 125.49 2fki s VAL 81 Ca -0.12 0.48 -0.22 0.00 0.00 0.00 0.00 61.98 62.13 2fki s VAL 81 Cb -0.16 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 2fki s VAL 81 CO 0.06 -0.44 0.66 -0.31 0.00 0.00 0.00 175.10 175.07 2fki s TYR 82 N 2.84 3.54 -0.22 5.22 1.51 -1.26 -1.32 117.35 127.66 2fki s TYR 82 Ca 0.25 1.16 -0.05 0.00 -1.01 0.00 0.00 57.07 57.42 2fki s TYR 82 Cb -0.14 -2.77 -0.12 0.00 -0.11 0.00 0.00 41.96 38.83 2fki s TYR 82 CO 0.17 0.07 3.23 1.28 -1.11 0.00 0.00 175.55 179.19 2fki n LEU 83 N 3.91 5.84 0.00 -1.29 4.77 0.24 -4.73 117.00 125.73 2fki n LEU 83 Ca -0.02 -3.60 0.00 0.00 -0.03 0.00 0.00 56.01 52.36 2fki n LEU 83 Cb 0.51 -1.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.27 2fki n LEU 83 CO 0.46 1.72 0.19 -0.67 -1.33 0.00 0.00 177.39 177.76 2fki n ASP 84 N 1.77 0.00 -0.61 -1.43 -0.08 -1.26 -4.63 116.55 110.30 2fki n ASP 84 Ca 0.46 0.38 -0.01 0.00 -1.51 0.00 0.00 54.79 54.11 2fki n ASP 84 Cb 0.74 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 44.19 2fki n ASP 84 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2fki n GLY 85 N -0.06 0.85 0.37 0.27 0.00 -1.26 -5.03 105.19 100.33 2fki n GLY 85 Ca 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 46.02 45.98 2fki n GLY 85 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2fki n SER 86 N 0.02 -0.13 -0.46 1.61 7.64 -1.26 -5.14 113.62 115.89 2fki n SER 86 Ca -0.04 -1.22 0.00 0.00 1.01 0.00 0.00 58.87 58.62 2fki n SER 86 Cb 0.58 0.26 0.00 0.00 -1.01 0.00 0.00 64.21 64.04 2fki n SER 86 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2fki n LEU 87 N 0.00 -0.92 -4.76 -3.43 4.77 -1.26 -4.87 117.00 106.52 2fki n LEU 87 Ca 0.00 0.86 -0.39 0.00 -0.03 0.00 0.00 56.01 56.45 2fki n LEU 87 Cb 0.07 -0.17 -0.05 0.00 -2.33 0.00 0.00 43.42 40.93 2fki n LEU 87 CO 0.03 -0.05 0.74 -2.84 -1.33 0.00 0.00 177.39 173.95 2fki s PRO 88 N -4.87 4.57 0.23 3.23 0.02 -1.26 -4.95 135.00 131.97 2fki s PRO 88 Ca 0.00 1.65 -0.05 0.00 0.02 0.00 0.00 61.00 62.62 2fki s PRO 88 Cb 0.00 -3.03 0.23 0.00 0.02 0.00 0.00 34.50 31.72 2fki s PRO 88 CO 0.00 0.19 1.72 0.22 -0.33 0.00 0.00 177.00 178.80 2fki h ASP 89 N 3.54 0.88 0.05 2.53 3.58 -2.02 -2.34 116.42 122.64 2fki h ASP 89 Ca -0.47 -0.22 -0.01 0.00 0.42 0.00 0.00 57.03 56.75 2fki h ASP 89 Cb 1.21 -0.24 -0.00 0.00 1.72 0.00 0.00 39.33 42.02 2fki h ASP 89 CO 0.66 0.93 -0.04 0.28 -2.88 0.00 0.00 179.24 178.20 2fki h SER 90 N 0.85 0.00 -0.32 2.28 0.02 -2.03 -1.80 113.55 112.55 2fki h SER 90 Ca 0.16 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.06 2fki h SER 90 Cb 0.48 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.00 2fki h SER 90 CO 0.02 0.04 0.04 -0.61 -1.14 0.00 0.00 176.83 175.18 2fki h GLN 91 N 0.00 0.63 -0.97 3.45 5.75 -1.81 -2.97 115.11 119.20 2fki h GLN 91 Ca -0.00 -0.13 0.00 0.00 -0.15 0.00 0.00 58.65 58.37 2fki h GLN 91 Cb 0.07 -0.09 -0.05 0.00 1.07 0.00 0.00 27.48 28.48 2fki h GLN 91 CO 0.00 0.62 0.62 0.82 -2.65 0.00 0.00 178.83 178.25 2fki h ILE 92 N 0.61 1.26 -0.56 2.39 2.04 -1.37 -2.12 117.51 119.75 2fki h ILE 92 Ca 0.13 -0.50 0.06 0.00 1.00 0.00 0.00 64.86 65.55 2fki h ILE 92 Cb 0.32 -0.15 -0.05 0.00 -0.74 0.00 0.00 36.82 36.20 2fki h ILE 92 CO 0.01 0.26 0.27 1.88 0.00 0.00 0.00 178.15 180.56 2fki h TYR 93 N 1.32 0.49 -0.34 1.37 0.05 -1.62 -1.95 116.97 116.29 2fki h TYR 93 Ca 0.35 0.02 -0.10 0.00 0.05 0.00 0.00 58.73 59.05 2fki h TYR 93 Cb -0.11 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 37.48 2fki h TYR 93 CO 0.00 0.21 -0.19 -0.92 -1.05 0.00 0.00 178.16 176.22 2fki h TYR 94 N 0.51 0.84 -0.36 4.88 3.20 -1.55 -2.41 116.97 122.08 2fki h TYR 94 Ca 0.26 -0.22 0.01 0.00 3.14 0.00 0.00 58.73 61.93 2fki h TYR 94 Cb 0.21 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.26 2fki h TYR 94 CO -0.11 0.94 0.21 -0.07 -1.64 0.00 0.00 178.16 177.49 2fki h LEU 95 N 0.50 0.35 -0.25 2.82 3.38 -0.91 0.20 115.31 121.39 2fki h LEU 95 Ca 0.07 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 2fki h LEU 95 Cb 0.73 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 2fki h LEU 95 CO 0.05 0.25 -0.15 0.58 0.09 0.00 0.00 178.44 179.27 2fki h VAL 96 N 0.43 1.30 -0.47 1.22 2.07 -1.41 -2.93 116.25 116.47 2fki h VAL 96 Ca 0.14 -1.25 -0.08 0.00 0.82 0.00 0.00 66.70 66.34 2fki h VAL 96 Cb 0.00 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 2fki h VAL 96 CO -0.07 0.39 -0.00 -0.78 0.02 0.00 0.00 177.57 177.13 2fki h ASP 97 N 0.26 0.82 -0.11 0.57 3.58 -1.12 -2.45 116.42 117.97 2fki h ASP 97 Ca 0.05 -0.31 -0.02 0.00 0.42 0.00 0.00 57.03 57.17 2fki h ASP 97 Cb 0.66 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.48 2fki h ASP 97 CO 0.04 0.93 0.02 0.00 -2.88 0.00 0.00 179.24 177.35 2fki h ALA 98 N 0.92 1.68 -0.18 -0.78 0.00 -0.66 0.12 119.26 120.36 2fki h ALA 98 Ca 0.13 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 2fki h ALA 98 Cb 0.51 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2fki h ALA 98 CO 0.02 0.24 -0.43 0.77 0.00 0.00 0.00 179.25 179.86 2fki h SER 99 N 0.27 0.46 -0.01 0.00 0.02 -1.28 -2.72 113.55 110.29 2fki h SER 99 Ca 0.06 -0.21 -0.20 0.00 -0.84 0.00 0.00 61.79 60.61 2fki h SER 99 Cb 0.16 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.57 2fki h SER 99 CO 0.00 0.83 -0.72 0.22 -1.14 0.00 0.00 176.83 176.02 2fki h TYR 100 N 0.35 0.87 -0.66 3.45 3.20 -0.74 -3.21 116.97 120.24 2fki h TYR 100 Ca 0.03 -0.37 0.06 0.00 3.14 0.00 0.00 58.73 61.58 2fki h TYR 100 Cb 0.90 -0.14 -0.05 0.00 1.54 0.00 0.00 36.73 38.98 2fki h TYR 100 CO 0.03 1.17 0.37 1.96 -1.64 0.00 0.00 178.16 180.05 2fki h GLN 101 N 0.46 0.67 -0.93 1.82 1.08 -0.68 -1.42 115.11 116.10 2fki h GLN 101 Ca -0.03 -0.04 0.09 0.00 -1.45 0.00 0.00 58.65 57.21 2fki h GLN 101 Cb 1.32 -0.15 -0.07 0.00 -0.05 0.00 0.00 27.48 28.53 2fki h GLN 101 CO 0.14 0.44 0.58 1.96 -0.95 0.00 0.00 178.83 181.00 2fki h GLN 102 N 0.69 0.97 -0.62 1.46 4.20 -1.50 -1.69 115.11 118.62 2fki h GLN 102 Ca 0.30 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.88 2fki h GLN 102 Cb 0.18 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 2fki h GLN 102 CO -0.18 0.64 0.12 0.00 -0.67 0.00 0.00 178.83 178.75 2fki h ALA 103 N 1.47 0.82 -0.20 3.87 0.00 -1.29 -2.57 119.26 121.36 2fki h ALA 103 Ca 0.43 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 2fki h ALA 103 Cb 0.30 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2fki h ALA 103 CO -0.21 0.56 -0.01 0.28 0.00 0.00 0.00 179.25 179.86 2fki h VAL 104 N 0.92 1.14 0.00 0.00 2.07 -0.58 0.03 116.25 119.83 2fki h VAL 104 Ca 0.19 -0.55 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 2fki h VAL 104 Cb 0.40 1.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 2fki h VAL 104 CO 0.01 0.18 -0.10 0.78 0.02 0.00 0.00 177.57 178.46 2fki h ASN 105 N 0.29 0.00 0.43 0.57 2.35 -1.02 -3.20 115.58 115.00 2fki h ASN 105 Ca 0.07 0.00 -0.31 0.00 -0.55 0.00 0.00 56.30 55.51 2fki h ASN 105 Cb 0.22 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.56 2fki h ASN 105 CO 0.01 0.10 -1.71 -0.07 -1.65 0.00 0.00 177.43 174.10 2fki h LEU 106 N 0.00 0.15 -9.77 1.61 3.38 -0.87 -3.47 115.31 106.34 2fki h LEU 106 Ca -0.00 -0.30 -0.53 0.00 0.09 0.00 0.00 57.88 57.15 2fki h LEU 106 Cb 0.91 -0.05 0.07 0.00 0.09 0.00 0.00 40.66 41.68 2fki h LEU 106 CO 0.01 1.26 0.80 -0.76 0.09 0.00 0.00 178.44 179.84 2fki s LEU 107 N -6.47 4.37 0.00 1.67 1.43 -0.12 -5.01 118.68 114.56 2fki s LEU 107 Ca -0.09 2.76 -0.08 0.00 -1.03 0.00 0.00 54.13 55.70 2fki s LEU 107 Cb 0.08 -3.63 0.11 0.00 0.03 0.00 0.00 46.19 42.78 2fki s LEU 107 CO 0.82 -0.77 0.40 -0.81 0.23 0.00 0.00 176.35 176.22 2fki n PRO 108 N 2.22 -1.80 0.04 1.29 -0.04 -1.26 -4.70 135.00 130.76 2fki n PRO 108 Ca 0.07 -0.64 -0.11 0.00 -0.04 0.00 0.00 63.50 62.78 2fki n PRO 108 Cb 0.39 -0.60 -0.04 0.00 -0.04 0.00 0.00 33.50 33.21 2fki n PRO 108 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2fki h GLU 109 N 0.00 -0.37 -0.13 0.54 4.57 -1.99 -2.61 114.58 114.59 2fki h GLU 109 Ca -0.15 0.03 0.05 0.00 -1.18 0.00 0.00 59.36 58.10 2fki h GLU 109 Cb 0.46 0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 29.08 2fki h GLU 109 CO 0.10 -0.25 -0.22 1.49 -1.18 0.00 0.00 179.01 178.95 2fki h GLU 110 N -0.38 -0.27 0.17 1.92 4.81 -2.00 -1.75 114.58 117.07 2fki h GLU 110 Ca 0.07 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 2fki h GLU 110 Cb 0.49 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.93 2fki h GLU 110 CO -0.26 -0.18 -0.08 0.87 -0.73 0.00 0.00 179.01 178.63 2fki h LYS 111 N -0.28 -0.21 -0.35 1.92 1.79 -1.88 -2.64 116.57 114.91 2fki h LYS 111 Ca 0.10 0.01 0.07 0.00 -2.18 0.00 0.00 60.65 58.65 2fki h LYS 111 Cb 0.43 0.05 -0.06 0.00 -1.58 0.00 0.00 32.23 31.06 2fki h LYS 111 CO -0.29 0.06 -0.07 0.00 -1.08 0.00 0.00 179.45 178.06 2fki h ARG 112 N -0.48 0.02 -0.64 3.15 3.08 -1.40 -0.50 114.38 117.61 2fki h ARG 112 Ca -0.02 -0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.08 2fki h ARG 112 Cb 0.37 -0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.37 2fki h ARG 112 CO 0.04 0.01 0.36 0.87 -1.07 0.00 0.00 179.97 180.18 2fki h LYS 113 N 0.02 0.67 -0.09 0.04 6.56 -1.23 -1.80 116.57 120.73 2fki h LYS 113 Ca 0.17 -0.04 -0.03 0.00 -1.06 0.00 0.00 60.65 59.69 2fki h LYS 113 Cb 0.26 -0.15 -0.00 0.00 -0.57 0.00 0.00 32.23 31.76 2fki h LYS 113 CO -0.35 0.44 -0.06 -0.07 -2.06 0.00 0.00 179.45 177.35 2fki h LEU 114 N 0.69 0.21 -1.37 2.94 3.38 -1.08 -3.15 115.31 116.92 2fki h LEU 114 Ca 0.28 -0.45 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 2fki h LEU 114 Cb 0.14 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2fki h LEU 114 CO -0.16 0.61 -0.29 -0.07 0.09 0.00 0.00 178.44 178.62 2fki h LEU 115 N -0.19 0.00 -0.28 1.67 3.38 -0.88 -2.67 115.31 116.33 2fki h LEU 115 Ca 0.02 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.80 2fki h LEU 115 Cb 0.54 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 2fki h LEU 115 CO 0.02 0.29 -0.87 0.58 0.09 0.00 0.00 178.44 178.55 2fki h VAL 116 N 0.00 1.60 0.00 1.22 2.07 -1.37 -3.17 116.25 116.60 2fki h VAL 116 Ca -0.00 -2.89 -0.09 0.00 0.82 0.00 0.00 66.70 64.53 2fki h VAL 116 Cb 0.61 2.57 -0.01 0.00 -1.52 0.00 0.00 31.29 32.94 2fki h VAL 116 CO 0.04 0.83 -0.45 -0.61 0.02 0.00 0.00 177.57 177.40 2fki h GLN 117 N 0.02 0.00 0.00 1.57 4.15 -1.44 -3.52 115.11 115.89 2fki h GLN 117 Ca -0.02 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.40 2fki h GLN 117 Cb 1.52 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.21 2fki h GLN 117 CO 0.12 0.45 0.00 1.28 -1.93 0.00 0.00 178.83 178.75